Structure Database (LMSD)

O O OH OH OH HO O
Common Name
Isorhamnetin
Systematic Name
3,4?,5,7-Tetrahydroxy-3?-methoxyflavone
Synonyms
  • 3-methylquercetin
LM ID
LMPK12110002
Formula
C16H12O7
Exact Mass
Calculate m/z
316.058305
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View ion mobility data

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
IZQSVPBOUDKVDZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
SMILES (Click to copy)
C1(O)C=C2OC(C3=CC=C(O)C(OC)=C3)=C(O)C(=O)C2=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ginkgo biloba (#3311)
Ginkgoopsida (#29811)
Isorhamnetin, A Flavonol Aglycone from Ginkgo biloba L., Induces Neuronal Differentiation of Cultured PC12 Cells: Potentiating the Effect of Nerve Growth Factor.,
Evid Based Complement Alternat Med, 2012
Pubmed ID: 22761636

Other Databases

Wikipedia
Isorhamnetin
KEGG ID
C10084
HMDB ID
HMDB0002655
CHEBI ID
6052
PubChem CID
5281654
Cayman ID
16496
PDB ID
IRH

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 255.99
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.19
Molar Refractivity 81.24

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Created at
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Updated at
23rd Jul 2024